SCHEMBL5660659

SCHEMBL5660659

CCC(Oc1ccc(OC(C)(C)C(=O)OC(=O)[C@@H](N)CCCNC(=N)N)cc1)Oc1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ NPY4R P50391 4/20 0.32
▸ NPY1R P25929 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ NPY2R P49146 2/20 0.30
▸ NPY5R Q15761 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5660965 0.94 PPARA (0.32) PPARANPY4RNPY1RNPY2RNPY5R
SCHEMBL5660731 0.91 PPARA (0.33) PPARANPY4RNPY1RNPY2RNPY5R
SCHEMBL5662393 0.89 CA12 (0.36) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL5663030 0.83 — —
SCHEMBL5662525 0.83 MTNR1A (0.34) PPARA
SCHEMBL5658608 0.81 PPARA (0.33) PPARATSHRNPY4RNPY1RALDH1A1
SCHEMBL5660452 0.80 PPARG (0.39) PPARA
SCHEMBL5660227 0.77 MCL1 (0.38) PPARA
SCHEMBL5661026 0.77 MTNR1A (0.35) PPARA
Arginine SCHEMBL5662385 0.76 PPARG (0.39) PPARA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-26 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them GPR119, NR1H3, NR1H2 PPARA 251/4885ABCB11 90/4885CYP1A2 1662/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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